5-[[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolyl]-oxomethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]isophthalate Formula: C23H13N3O7-2 MolecularWeight: 443.36522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H15N3O7/c27-19(25-16-7-14(22(30)31)6-15(8-16)23(32)33)13-3-4-17-18(9-13)21(29)26(20(17)28)11-12-2-1-5-24-10-12/h1-10H,11H2,(H,25,27)(H,30,31)(H,32,33)/p-2